SCHEMBL1814784

SCHEMBL1814784

Cc1nn(-c2ccc(F)cc2F)c(NC2(C)C=CC=CC2C(=O)O)c1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
P2RX7 Q99572 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CNR2 P34972 10/20 0.34
CNR1 P21554 10/20 0.34
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3308257 0.93 L3MBTL1 (0.34) OPRM1P2RX7L3MBTL1CNR2
SCHEMBL3299195 0.93 L3MBTL1 (0.34) OPRM1P2RX7L3MBTL1
SCHEMBL1818958 0.86 SCN9A (0.37) L3MBTL1
SCHEMBL3306666 0.83 OPRM1 (0.36) OPRM1P2RX7
SCHEMBL1815542 0.82 HDAC9 (0.33) L3MBTL1
SCHEMBL1816105 0.82 KDM4E (0.44) OPRM1L3MBTL1CNR2CNR1GAA
SCHEMBL3261317 0.81 NTRK1 (0.38) P2RX7
SCHEMBL1814343 0.81 NR1H4 (0.33) P2RX7L3MBTL1
SCHEMBL1819945 0.80 ADORA1 (0.48) OPRM1P2RX7
SCHEMBL3303524 0.75 ADORA1 (0.51) OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT OPRM1 3853/4885P2RX7 473/4885L3MBTL1 2170/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.